methyl 4-chloro-2-[(4-phenyl-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carbonyl)amino]benzoate
Chemical Structure Depiction of
methyl 4-chloro-2-[(4-phenyl-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carbonyl)amino]benzoate
methyl 4-chloro-2-[(4-phenyl-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carbonyl)amino]benzoate
Compound characteristics
Compound ID: | G118-0960 |
Compound Name: | methyl 4-chloro-2-[(4-phenyl-4H-pyrrolo[1,2-a][1,4]benzodiazepine-5(6H)-carbonyl)amino]benzoate |
Molecular Weight: | 471.94 |
Molecular Formula: | C27 H22 Cl N3 O3 |
Smiles: | COC(c1ccc(cc1NC(N1Cc2ccccc2n2cccc2C1c1ccccc1)=O)[Cl])=O |
Stereo: | RACEMIC MIXTURE |
logP: | 6.3801 |
logD: | 6.3702 |
logSw: | -6.1165 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 47.047 |
InChI Key: | PJHLNCJBXQWYQD-RUZDIDTESA-N |